General Information of the Compound
| Compound ID |
CP0540599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-2-[4-[4-(3-methylsulfinyl-1-benzothiophen-6-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N4O2S2
|
||||||||||||||||||
| Molecular Weight |
502.665
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2c(csc2c1)[S+](C)[O-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N4O2S2/c1-31(2)14-15-33-21-7-4-19(5-8-21)27-29-25(18-10-12-28-13-11-18)26(30-27)20-6-9-22-23(16-20)34-17-24(22)35(3)32/h4-13,16-17H,14-15H2,1-3H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RENJVVIMBVMZFF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound